2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide

C12H11ClN2O2S — CID 2932090

IUPAC2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1nccs1
InChIInChI=1S/C12H11ClN2O2S/c1-8(11(16)15-12-14-5-6-18-12)17-10-4-2-3-9(13)7-10/h2-8H,1H3,(H,14,15,16)
InChIKeySEPRNHLNFQUYNU-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.20
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide

2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2932090) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2932090
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1nccs1
InChIInChI=1S/C12H11ClN2O2S/c1-8(11(16)15-12-14-5-6-18-12)17-10-4-2-3-9(13)7-10/h2-8H,1H3,(H,14,15,16)
InChIKeySEPRNHLNFQUYNU-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 2932090) is 2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1nccs1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SEPRNHLNFQUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-8(11(16)15-12-14-5-6-18-12)17-10-4-2-3-9(13)7-10/h2-8H,1H3,(H,14,15,16).
What are the key properties of 2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 282.75 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2932090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).